methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate

C17H23NO5 — CID 100763279

IUPACmethyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate
SMILESCCO[C@@](C)(C(=O)Nc1ccc(OC)c(C(=O)OC)c1)C1CC1
InChIInChI=1S/C17H23NO5/c1-5-23-17(2,11-6-7-11)16(20)18-12-8-9-14(21-3)13(10-12)15(19)22-4/h8-11H,5-7H2,1-4H3,(H,18,20)/t17-/m1/s1
InChIKeyFYSGWCIWDYPCLU-QGZVFWFLSA-N
MW321.37 g/mol
LogP2.63
Rot. Bonds7

About methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate

methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate (PubChem CID 100763279) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate.

Molecular Properties

Compound Namemethyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate
PubChem CID100763279
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Namemethyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate
SMILESCCO[C@@](C)(C(=O)Nc1ccc(OC)c(C(=O)OC)c1)C1CC1
InChIInChI=1S/C17H23NO5/c1-5-23-17(2,11-6-7-11)16(20)18-12-8-9-14(21-3)13(10-12)15(19)22-4/h8-11H,5-7H2,1-4H3,(H,18,20)/t17-/m1/s1
InChIKeyFYSGWCIWDYPCLU-QGZVFWFLSA-N
XLogP2.63
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate with MolForge

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Related Compounds

2-cyclopropyl-2-ethoxy-N-[4-methoxy-3-(trifluoromethyl)phenyl]propanamide
CID 133203979
methyl 5-[[(2R)-2-ethoxy-2,4-dimethylpentanoyl]amino]-2-methoxybenzoate
CID 100759329
methyl 2-butoxy-5-[(2-cyclopropyl-2-methoxypropanoyl)amino]benzoate
CID 133229936
ethyl 5-[[(2S)-2-cyclopropyl-2-propoxypropanoyl]amino]-2-propoxybenzoate
CID 100768779
N-(3-cyano-4-ethoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 133203996
N-(3-cyano-4-methoxyphenyl)-2-cyclopropyl-2-propoxypropanamide
CID 133205487
(2S)-2-cyclopropyl-2-ethoxy-N-(4-methoxynaphthalen-1-yl)propanamide
CID 100763642
(2S)-2-cyclopropyl-N-(4-ethoxy-3-methylphenyl)-2-propoxypropanamide
CID 100718104
methyl 2-ethoxy-5-[[(2R)-2-ethoxy-2-methylhexanoyl]amino]benzoate
CID 100760661
methyl 2-methoxy-5-[[(2S)-2-methyl-2-propoxyhexanoyl]amino]benzoate
CID 100765762
methyl 5-[(2-ethoxy-2-methylpentanoyl)amino]-2-propoxybenzoate
CID 133230051
(2R)-N-(4-butoxyphenyl)-2-cyclopropyl-2-ethoxypropanamide
CID 100734854

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate?
The IUPAC name of methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate (CID 100763279) is methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate.
What is the SMILES notation for methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate?
The canonical SMILES for methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate is CCO[C@@](C)(C(=O)Nc1ccc(OC)c(C(=O)OC)c1)C1CC1.
What is the InChIKey of methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate?
The InChIKey is FYSGWCIWDYPCLU-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H23NO5/c1-5-23-17(2,11-6-7-11)16(20)18-12-8-9-14(21-3)13(10-12)15(19)22-4/h8-11H,5-7H2,1-4H3,(H,18,20)/t17-/m1/s1.
What are the key properties of methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate?
methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate has a molecular weight of 321.37 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[(2R)-2-cyclopropyl-2-ethoxypropanoyl]amino]-2-methoxybenzoate is sourced from PubChem (CID 100763279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).